Molecule ID: mol20593
SMILES: C/C=C/COc1noc2c1CNCC2
InChI: InChI=1S/C10H14N2O2/c1-2-3-6-13-10-8-7-11-5-4-9(8)14-12-10/h2-3,11H,4-7H2,1H3/b3-2+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.70 | QSARToolbox | 1 » 0 |
| 7.70 | OCHEM | 1 » 0 |
| 7.70 | Baltruschat ChEMBL | 1 » 0 |